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3-Fluoro-3-(2-oxo-propylsulfanyl)-2-trifluoromethyl-acrylonitrile
SpectraBase Compound ID 4ElHVeElweg
InChI InChI=1S/C7H5F4NOS/c1-4(13)3-14-6(8)5(2-12)7(9,10)11/h3H2,1H3/b6-5+
InChIKey AAEMTALUVVGLDZ-AATRIKPKSA-N
Mol Weight 227.18 g/mol
Molecular Formula C7H5F4NOS
Exact Mass 227.002798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KpgDcMTykJ6
Name 3-Fluoro-3-(2-oxo-propylsulfanyl)-2-trifluoromethyl-acrylonitrile
Alternate Name(s) (2E)-3-Fluoro-3-[(2-oxopropyl)sulfanyl]-2-(trifluoromethyl)-2-propenenitrile (E)-3-(acetonylthio)-3-fluoro-2-(trifluoromethyl)acrylonitrile (E)-3-acetonylsulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enenitrile (E)-3-fluoranyl-3-(2-oxidanylidenepropylsulfanyl)-2-(trifluoromethyl)prop-2-enenitrile (E)-3-fluoro-3-(2-oxopropylsulfanyl)-2-(trifluoromethyl)prop-2-enenitrile (E)-3-fluoro-3-(2-oxopropylthio)-2-(trifluoromethyl)-2-propenenitrile
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Formula C7H5F4NOS
InChI InChI=1S/C7H5F4NOS/c1-4(13)3-14-6(8)5(2-12)7(9,10)11/h3H2,1H3/b6-5+
InChIKey AAEMTALUVVGLDZ-AATRIKPKSA-N
Molecular Weight 227.177 g/mol
SMILES C(S\C(F)=C/(C#N)C(F)(F)F)C(=O)C
SPLASH splash10-0006-9210000000-e0f0a4ff2c865b69b504
Wiley ID 1463081